Table 2.
Drug-likeness properties of compounds.
| Compound | MW | Log S | C log P | HBA | HBD | NRB | MR | TPSA |
|---|---|---|---|---|---|---|---|---|
| Ref. | – | >-4 | <=5 | <=10 | <=5 | <=10 | 40–130 | <140 |
| 1 | 650 | −3.71 | 3.2 | 10 | 7 | 4 | 171 | 177 |
| 2 | 650 | −3.86 | 2.43 | 10 | 7 | 4 | 171 | 177 |
| 3 | 648 | −3.76 | 3.26 | 10 | 6 | 4 | 170 | 173 |
| 4 | 650 | −3.89 | 3.22 | 10 | 7 | 4 | 171 | 177 |
| 5 | 696 | −3.61 | 2.06 | 12 | 8 | 6 | 178 | 206 |
| 6 | 858 | −3.08 | 1.29 | 17 | 11 | 9 | 209 | 285 |
| Catechin | 290 | −2.73 | 1.34 | 6 | 5 | 1 | 74 | 110 |
| Captopril | 217 | −0.06 | 0.27 | 4 | 1 | 4 | 60 | 57 |
HBA: Number of hydrogen bonds acceptors; HBD: Number of hydrogen bond donors; Log S: Logarithm of water solubility; C Log P: Calculated logarithm of compound partition coefficient between n-octanol and water; MR: Molecular refractivity; MW: molecular weight; NRB: Number of rotatable bonds; TPSA: Topological polar surface area.